Geometry & MOs

Info

ID:

414359

PubChem CID:

135087315

Reduced:

S2O6N7C39H51 (1)

Stoich.:

A2B6C7D39E51 (1)

Weight, g/mol:

601.22043

ΔHf, kcal/mol:

-183.91

Dipole, Da:

8.58

IP(EA), eV:

 -7.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-(pyridine-3-carbonyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations